REAL300019907051.mol2 41 1 O -0.53 -13.58 15.82 5.56 0.09 -13.49 16 2 C 0.53 11.00 7.63 -10.99 -0.08 10.91 16 3 C -0.13 -1.86 4.69 -27.88 -0.13 -1.99 16 4 C -0.07 -0.98 4.62 -27.88 -0.13 -1.11 16 5 C -0.07 -0.76 5.16 -104.37 -0.54 -1.30 16 6 C -0.08 -0.58 9.68 -39.59 -0.38 -0.96 16 7 C -0.10 -0.45 10.04 -39.48 -0.40 -0.85 16 8 C -0.11 -0.56 10.04 -39.63 -0.40 -0.96 16 9 C -0.08 -0.71 6.31 -104.35 -0.66 -1.37 16 10 C 0.26 3.11 9.97 -38.81 -0.39 2.72 16 11 O -0.53 -9.21 17.75 -56.57 -1.00 -10.21 16 12 O -0.47 -7.78 15.05 -56.57 -0.85 -8.64 16 13 C 0.09 1.01 7.74 35.91 0.28 1.29 16 14 N -0.60 -11.89 3.06 -164.32 -0.50 -12.39 16 15 C 0.10 1.47 6.69 -2.53 -0.02 1.45 16 16 C -0.13 -1.69 7.09 -24.58 -0.17 -1.86 16 17 C -0.12 -2.06 6.48 -24.88 -0.16 -2.22 16 18 C 0.25 5.66 3.40 -68.10 -0.23 5.43 16 19 H 0.08 1.83 8.14 -51.93 -0.42 1.41 16 20 C 0.06 1.66 6.31 -156.73 -0.99 0.67 16 21 N -0.38 -11.64 12.43 32.44 0.40 -11.24 16 22 N -0.20 -6.66 13.47 60.35 0.81 -5.85 16 23 N -0.20 -6.67 13.47 60.35 0.81 -5.86 16 24 N -0.38 -12.26 12.43 32.44 0.40 -11.86 16 25 H 0.09 1.30 7.85 -51.93 -0.41 0.90 16 26 H 0.09 1.17 8.14 -51.93 -0.42 0.74 16 27 H 0.10 1.36 8.01 -51.93 -0.42 0.95 16 28 H 0.10 1.68 7.30 -51.93 -0.38 1.30 16 29 H 0.17 0.90 8.06 -52.48 -0.42 0.47 16 30 H 0.15 0.25 8.06 -52.49 -0.42 -0.17 16 31 H 0.16 0.33 8.06 -52.49 -0.42 -0.09 16 32 H 0.35 5.05 9.30 45.56 0.42 5.47 16 33 H 0.07 0.59 8.14 -51.93 -0.42 0.17 16 34 H 0.07 0.60 8.14 -51.93 -0.42 0.18 16 35 H 0.07 0.82 7.48 -51.93 -0.39 0.43 16 36 H 0.07 1.03 8.14 -51.93 -0.42 0.60 16 37 H 0.07 0.86 8.14 -51.93 -0.42 0.44 16 38 H 0.08 0.85 8.14 -51.93 -0.42 0.43 16 39 H 0.08 1.24 8.14 -51.93 -0.42 0.82 16 40 H 0.08 1.55 7.84 -51.93 -0.41 1.15 16 Total: -1.00 -44.01 346.39 -5.24 -49.26